2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole

C15H20N2O — CID 81046144

IUPAC2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
SMILESCC(Cc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C15H20N2O/c1-11(12-5-4-8-16-10-12)9-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3
InChIKeyQPWCLJZFHQYYKV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole

2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole (PubChem CID 81046144) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
PubChem CID81046144
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
SMILESCC(Cc1nc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C15H20N2O/c1-11(12-5-4-8-16-10-12)9-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3
InChIKeyQPWCLJZFHQYYKV-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
N-(1-piperidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62046745
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335
2-(2-bromo-2-cyclopropylethyl)-1,3-benzoxazole
CID 66459218
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
1-(1,3-benzoxazol-2-yl)propan-2-amine;ethane
CID 142930322

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole (CID 81046144) is 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole is CC(Cc1nc2ccccc2o1)C1CCCNC1.
What is the InChIKey of 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
The InChIKey is QPWCLJZFHQYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(12-5-4-8-16-10-12)9-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3.
What are the key properties of 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole?
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole has a molecular weight of 244.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 81046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).